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2,2,2,Trifluoroethanol-OD - 99 atom% D, high purity , CAS No.77568-66-2

COA

Grade & Purity:

≥99 atom% D

Cas Number: 77568-66-2
Molecular Weight: 101.05
MDL number: MFCD00192523
PubChem CID: 12255975

In stock

Item Number

T474160

Grouped product items
SKU	Size	Availability	Price	Qty
T474160-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$84.90
T474160-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90

Basic Description

Synonyms	2-deuteriooxy-1,1,1-trifluoroethane \| 2,2,2-Trifluoroethanol-d \| 2,2,2-Trifluoroethan(ol-d) \| DTXSID90482674 \| RHQDFWAXVIIEBN-RAMDWTOOSA-N \| SCHEMBL1686172 \| 2,2,2,Trifluoroethanol-OD, 99 atom % D \| AKOS015912431 \| d1-trifluoroethanol
Specifications & Purity	≥99 atom% D
Product Description	Description 2,2,2-Trifluoroethan(ol-d) is a deuterated compound in which the hydrogen on the –OH group is substituted by deuterium.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Halohydrins
    - Subclass Fluorohydrins

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Halohydrins
Subclass	Fluorohydrins
Intermediate Tree Nodes	Not available
Direct Parent	Fluorohydrins
Alternative Parents	Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-deuteriooxy-1,1,1-trifluoroethane
INCHI	InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i6D
InChIKey	RHQDFWAXVIIEBN-RAMDWTOOSA-N
Smiles	C(C(F)(F)F)O
Isomeric SMILES	[2H]OCC(F)(F)F
PubChem CID	12255975
UN Number	1986
Molecular Weight	101.05

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.3 (lit.)
Flash Point(°F)	84.2 °F - closed cup
Flash Point(°C)	29 °C - closed cup
Boil Point(°C)	77-80℃ (lit.)
Melt Point(°C)	−44℃ (lit.)
Molecular Weight	101.050 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	101.02 Da
Monoisotopic Mass	101.02 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	38.500
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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